methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate

C24H38N6O5 — CID 118313212

IUPACmethyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate
SMILES[H]/N=C(/c1ccc(C)nc1NCCCNC(=O)OC)[C@@H](C)N(C(=O)[C@H]1CN[C@@H](COC)CO1)C1CC1
InChIInChI=1S/C24H38N6O5/c1-15-6-9-19(22(29-15)26-10-5-11-27-24(32)34-4)21(25)16(2)30(18-7-8-18)23(31)20-12-28-17(13-33-3)14-35-20/h6,9,16-18,20,25,28H,5,7-8,10-14H2,1-4H3,(H,26,29)(H,27,32)/b25-21+/t16-,17+,20-/m1/s1
InChIKeyKUXGRSKQSVYBNV-XKTUPTTISA-N
MW490.61 g/mol
LogP1.30
Rot. Bonds12

About methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate

methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate (PubChem CID 118313212) has the molecular formula C24H38N6O5 and a molecular weight of 490.61 g/mol. Its IUPAC name is methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate
PubChem CID118313212
Molecular FormulaC24H38N6O5
Molecular Weight490.61 g/mol
Exact Mass490.29
IUPAC Namemethyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate
SMILES[H]/N=C(/c1ccc(C)nc1NCCCNC(=O)OC)[C@@H](C)N(C(=O)[C@H]1CN[C@@H](COC)CO1)C1CC1
InChIInChI=1S/C24H38N6O5/c1-15-6-9-19(22(29-15)26-10-5-11-27-24(32)34-4)21(25)16(2)30(18-7-8-18)23(31)20-12-28-17(13-33-3)14-35-20/h6,9,16-18,20,25,28H,5,7-8,10-14H2,1-4H3,(H,26,29)(H,27,32)/b25-21+/t16-,17+,20-/m1/s1
InChIKeyKUXGRSKQSVYBNV-XKTUPTTISA-N
XLogP1.30
TPSA137.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate?
The IUPAC name of methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate (CID 118313212) is methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate?
The canonical SMILES for methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate is [H]/N=C(/c1ccc(C)nc1NCCCNC(=O)OC)[C@@H](C)N(C(=O)[C@H]1CN[C@@H](COC)CO1)C1CC1.
What is the InChIKey of methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate?
The InChIKey is KUXGRSKQSVYBNV-XKTUPTTISA-N. The full InChI is InChI=1S/C24H38N6O5/c1-15-6-9-19(22(29-15)26-10-5-11-27-24(32)34-4)21(25)16(2)30(18-7-8-18)23(31)20-12-28-17(13-33-3)14-35-20/h6,9,16-18,20,25,28H,5,7-8,10-14H2,1-4H3,(H,26,29)(H,27,32)/b25-21+/t16-,17+,20-/m1/s1.
What are the key properties of methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate?
methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate has a molecular weight of 490.61 g/mol, XLogP of 1.30, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate is sourced from PubChem (CID 118313212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).